[(η(5)-C5H4P(C6H5)2)2Ti(SC6F5)2] | 166670-50-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(η(5)-C5H4P(C6H5)2)2Ti(SC6F5)2]
• 英文别名: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;2,3,4,5,6-pentafluorobenzenethiolate;titanium(4+)
• CAS: 166670-50-4
• 化学式: C₄₆H₂₈F₁₀P₂S₂Ti
• 分子量: 944.672
• InChiKey: BAIRLLARINUAMC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  61
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  bis{diphenylphosphino}titanocenedichloride 、 以 甲苯 为溶剂， 以72%的产率得到[(η(5)-C5H4P(C6H5)2)2Ti(SC6F5)2]
  参考文献：
  名称：

  Thiolate derivatives of bis(diphenylphosphinocyclopentadienyl)titanium TiPt and TiPd heterobimetallic compounds

  摘要：

  Reactions of [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] with HSR in the presence of Et(3)N gave the new compounds [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SR)(2)] (R = CH2C6H5 (1), C6H5, (2), CH2CH3 (3), C6F5 (4) and [{eta(5)-C5H4P(C6H5)(2)}2TiCl(SC6H11)] (5). The complex [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SC6F5)(2)] can be prepared in higher yield by reaction of TlSC6F5 with [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] in toluene. These compounds are of interest as metalloligands to form bimetallic and trimetallic species. The treatment of [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] or [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SC6H5)(2)] with cis-[M(C6F5)(2)(THF)(2)] gave the new heterobimetallic complexes [Cl2Ti{mu-C5H4P(C6H5)(2)}(2)M(C6F5)(2)] [M = Pt (6) or Pd (7)] and [(C6H5S)(2)Ti{mu-C5H4P(C6H5)(2)}Pt-2(C6F5)(2)] (8). In all cases the THF of the cis-[M(C6F5)(2)(THF)(2)] was easily replaced by the phosphine rather than chloride or thiolate. The compounds have been characterized by H-1, P-31 and F-19 NMR spectroscopies and FAB mass spectrometry.

  DOI：

  10.1016/0022-328x(95)05427-q